|
FW:
|
122.12100
|
|
MF:
|
C7H6O2
|
|
Water_Solubility:
|
slightly soluble
|
|
Refractive_Index:
|
n20/D 1.573(lit.)
|
|
Bolling_Point:
|
197 °C(lit.)
|
|
Exact_Mass:
|
122.03700
|
|
PSA:
|
37.30000
|
|
Vapor_Density:
|
4.2 (vs air)
|
|
Computational_Chemistry:
|
['1. XlogP 18 ', '2. Hydrogen Bond Donor Count 1 ', '3. Hydrogen Bond Acceptor Count 2 ', '4. Rotatable Bond Count 1 ', '5. Isotope Atom Count 5 ', '6. TPSA 373 ', '7. Heavy Atom Count 9 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 101 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3488 ', '2 . Molar volume 995 ', '3 . Parachor （902K）2673 ', '4 . Surface tension 520 ', '5 . Polarizability 1383']
|
|
LogP:
|
1.20470
|
|
Melting_Point:
|
1-2 °C(lit.)
|
|
Flash_Point:
|
170 °F
|
|
Density:
|
1.146 g/mL at 25 °C(lit.)
|
|
More_Info:
|
['1. Appearance Colourless 透明to 淡Yellow 油状Liquid ，有焦灼味及杏仁气味。 ', '2. Melting point（℃）-7 ', '3. Boiling point（℃）197 ', '4相对. Density（Water =1）117 ', '5相对蒸气. Density（Atmosphere =1）42 ', '6. Saturated vapor pressure（kPa）013（33℃） ', '7. Combustion heat（kJ/mol）-33289 ', '8. Critical pressure（MPa）499 ', '9Octanol /Water 分配系数17~181 ', '10. Flash point（℃）778（CC） ', '11引燃温度（℃）249 ', '12. Solubility 用作分析试剂香料汽油添加剂及用于有机合成。']
|
